skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

پلیوکومنین B  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C43H52N4O4

inchi

  • InChI=1S/C43H52N4O4/c1-45-33-8-6-27(23-29(33)41-16-20-47-18-4-10-39(37(41)47)12-14-43(41,45)31(25-39)35(50)51-2)21-26-5-7-32-28(22-26)40-15-19-46-17-3-9-38(36(40)46)11-13-42(40,44-32)30(24-38)34(48)49/h5-8,22-23,30-31,36-37,44H,3-4,9-21,24-25H2,1-2H3,(H,48,49)/t30?,31?,36-,37-,38+,39+,40+,41?,42+,43?/m0/s1

inchikey

  • STYFAKVWGOAWSV-KZXITOABSA-N

mass

  • 688.899

monoisotopicmass

  • 688.39886

smiles

  • C1C[C@]23CC(C4(CC2)C5(CCN(C1)[C@@H]35)C6=CC(=CC=C6N4C)CC7=CC=C8C(=C7)[C@@]9%10CCN%11CCC[C@@]%12(CC([C@@]9(CC%12)N8)C(O)=O)[C@@H]%10%11)C(OC)=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:141945

Download this concept: